| Year |
Citation |
Score |
| 2023 |
Lei Y, Xie X, Ma H, Ma J. Vitality of Intralayer Vibration in hBN for Effective Long-Range Interlayer Hole Transfer across High Barriers in MoSe/hBN/WSe Heterostructures. The Journal of Physical Chemistry Letters. 11190-11199. PMID 38055859 DOI: 10.1021/acs.jpclett.3c03040 |
0.566 |
|
| 2023 |
Zhang G, Zhu Q, Zheng H, Zhang S, Ma J. Prediction of free radical reactions toward organic pollutants with easily accessible molecular descriptors. Chemosphere. 346: 140660. PMID 37951397 DOI: 10.1016/j.chemosphere.2023.140660 |
0.402 |
|
| 2023 |
Gao L, Liang X, He L, Li G, Chen S, Cao J, Ma J, Wang G, Li S. Base-mediated C-B bond activation of benzylic boronate for the rapid construction of β-silyl/boryl functionalized 1,1-diarylalkanes from aromatic alkenes. Chemical Science. 14: 11881-11889. PMID 37920335 DOI: 10.1039/d3sc03666a |
0.428 |
|
| 2023 |
Ge Y, Wang X, Zhu Q, Yang Y, Dong H, Ma J. Machine Learning-Guided Adaptive Parametrization for Coupling Terms in a Mixed United-Atom/Coarse-Grained Model for Diphenylalanine Self-Assembly in Aqueous Ionic Liquids. Journal of Chemical Theory and Computation. PMID 37725682 DOI: 10.1021/acs.jctc.3c00809 |
0.536 |
|
| 2023 |
Fu L, Wang R, Zhu Q, Gu Y, Zheng L, Chen Y, Jiang J, Ma J. Planar Chirality for Acid/Base Responsive Macrocyclic Pillararenes Induced by Amino Acid Derivatives: Molecular Dynamics Simulations and Machine Learning. Journal of Chemical Theory and Computation. PMID 37154217 DOI: 10.1021/acs.jctc.2c01265 |
0.421 |
|
| 2023 |
Zhu Q, Ge Y, Li W, Ma J. Treating Polarization Effects in Charged and Polar Bio-Molecules Through Variable Electrostatic Parameters. Journal of Chemical Theory and Computation. PMID 36592097 DOI: 10.1021/acs.jctc.2c01130 |
0.438 |
|
| 2022 |
Xiong Y, Li B, Gu Y, Yan T, Ni Z, Li S, Zuo JL, Ma J, Jin Z. Photocatalytic nitrogen fixation under an ambient atmosphere using a porous coordination polymer with bridging dinitrogen anions. Nature Chemistry. PMID 36522581 DOI: 10.1038/s41557-022-01088-8 |
0.409 |
|
| 2022 |
Du J, Liao K, Ma J, Li W, Li S. Generalized Energy-Based Fragmentation Approach for the Electronic Emission Spectra of Large Systems. Journal of Chemical Theory and Computation. PMID 36399522 DOI: 10.1021/acs.jctc.2c00911 |
0.463 |
|
| 2022 |
Zhu Q, Zhang S, Ma J, Zhu J, Li S, Zeng G. Catalytic Mechanisms of Transfer Hydrogenation of Azobenzene with Ammonia Borane by Pincer Bismuth Complex: Crucial Role of C=N Functional Group on the Pincer Ligand. Chemistry, An Asian Journal. PMID 36398781 DOI: 10.1002/asia.202201069 |
0.406 |
|
| 2022 |
Jia Q, Ni Y, Liu Z, Gu X, Cui Z, Fan M, Zhu Q, Wang Y, Ma J. Fast Prediction of Lipophilicity of Organofluorine Molecules: Deep Learning-Derived Polarity Characters and Experimental Tests. Journal of Chemical Information and Modeling. PMID 36223527 DOI: 10.1021/acs.jcim.2c01201 |
0.425 |
|
| 2022 |
Zhu Q, Jia Q, Liu Z, Ge Y, Gu X, Cui Z, Fan M, Ma J. Molecular partition coefficient from machine learning with polarization and entropy embedded atom-centered symmetry functions. Physical Chemistry Chemical Physics : Pccp. PMID 36134471 DOI: 10.1039/d2cp02648a |
0.42 |
|
| 2022 |
Yan L, Zhu Q, Qi Y, Xu J, Peng Y, Shu J, Ma J, Wang Y. Towards High-Performance Aqueous Zinc Batteries via a Semi-Conductive Bipolar-Type Polymer Cathode. Angewandte Chemie (International Ed. in English). PMID 36050284 DOI: 10.1002/anie.202211107 |
0.347 |
|
| 2022 |
Jiang M, Zhu Q, Song X, Gu Y, Zhang P, Li C, Cui J, Ma J, Tie Z, Jin Z. Batch-Scale Synthesis of Nanoparticle-Agminated Three-Dimensional Porous Cu@CuO Microspheres for Highly Selective Electrocatalysis of Nitrate to Ammonia. Environmental Science & Technology. PMID 35767694 DOI: 10.1021/acs.est.2c01057 |
0.331 |
|
| 2022 |
Du J, Ma Y, Ma J, Li S, Li W. Transition orbital projection approach for excited state tracking. The Journal of Chemical Physics. 156: 214104. PMID 35676128 DOI: 10.1063/5.0081207 |
0.435 |
|
| 2022 |
Lei Y, Zheng Z, Vasquez L, Zhao J, Ma J, Ma H. Enhanced Electron Transfer and Spin Flip through Spin-Orbital Couplings in Organic/Inorganic Heterojunctions: A Nonadiabatic Surface Hopping Simulation. The Journal of Physical Chemistry Letters. 13: 4840-4848. PMID 35616399 DOI: 10.1021/acs.jpclett.2c01177 |
0.564 |
|
| 2022 |
Jia W, Hu C, Wang Y, Liu Y, Wang L, Zhang S, Zhu Q, Gu Y, Zhang P, Ma J, Chen HY, Huang S. Identification of Single-Molecule Catecholamine Enantiomers Using a Programmable Nanopore. Acs Nano. PMID 35394745 DOI: 10.1021/acsnano.2c01017 |
0.351 |
|
| 2022 |
Chen H, Lv C, Guo L, Ma M, Li X, Lan Z, Huo J, Dong H, Zhu X, Zhu Q, Gu Y, Liu Z, Liu J, Chen H, Guo X, ... Ma J, et al. Surface Stability and Morphology of Calcium Phosphate Tuned by pH Values and Lactic Acid Additives: Theoretical and Experimental Study. Acs Applied Materials & Interfaces. PMID 35043625 DOI: 10.1021/acsami.1c18727 |
0.51 |
|
| 2021 |
Li W, Ma H, Li S, Ma J. Computational and data driven molecular material design assisted by low scaling quantum mechanics calculations and machine learning. Chemical Science. 12: 14987-15006. PMID 34909141 DOI: 10.1039/d1sc02574k |
0.661 |
|
| 2021 |
Cheng Z, Du J, Zhang L, Ma J, Li W, Li S. Building quantum mechanics quality force fields of proteins with the generalized energy-based fragmentation approach and machine learning. Physical Chemistry Chemical Physics : Pccp. PMID 34718360 DOI: 10.1039/d1cp03934b |
0.422 |
|
| 2021 |
Wen Y, Liu Y, Yan B, Gaudin T, Ma J, Ma H. Simultaneous Optimization of Donor/Acceptor Pairs and Device Specifications for Nonfullerene Organic Solar Cells Using a QSPR Model with Morphological Descriptors. The Journal of Physical Chemistry Letters. 4980-4986. PMID 34015223 DOI: 10.1021/acs.jpclett.1c01099 |
0.563 |
|
| 2021 |
Zhu C, Zhou X, Liu Z, Chen H, Wu H, Yang X, Zhu X, Ma J, Dong H. The Morphology of Hydroxyapatite Nanoparticles Regulates Cargo Recognition in Clathrin-Mediated Endocytosis. Frontiers in Molecular Biosciences. 8: 627015. PMID 33748189 DOI: 10.3389/fmolb.2021.627015 |
0.4 |
|
| 2021 |
Zhu Q, Gu Y, Hu L, Gaudin T, Fan M, Ma J. Shear viscosity prediction of alcohols, hydrocarbons, halogenated, carbonyl, nitrogen-containing, and sulfur compounds using the variable force fields. The Journal of Chemical Physics. 154: 074502. PMID 33607909 DOI: 10.1063/5.0038267 |
0.397 |
|
| 2021 |
Fu F, Liao K, Liu Z, Hong D, Yang H, Tian Y, Wei W, Liu C, Li S, Ma J, Li W. Controlled Fluorescence Enhancement of DNA-Binding Dye Through Chain Length Match between Oligoguanine and TOTO. The Journal of Physical Chemistry. B. PMID 33426891 DOI: 10.1021/acs.jpcb.0c09611 |
0.681 |
|
| 2020 |
Li W, Dong H, Ma J, Li S. Structures and Spectroscopic Properties of Large Molecules and Condensed-Phase Systems Predicted by Generalized Energy-Based Fragmentation Approach. Accounts of Chemical Research. PMID 33350806 DOI: 10.1021/acs.accounts.0c00580 |
0.609 |
|
| 2020 |
Cheng Z, Zhao D, Ma J, Li W, Li S. An On-the-fly Approach to Construct Generalized Energy‒Based Fragmentation Machine Learning Force Fields of Complex Systems. The Journal of Physical Chemistry. A. PMID 32459485 DOI: 10.1021/acs.jpca.0c04526 |
0.43 |
|
| 2020 |
Yuan Y, Zhu Q, Song R, Ma J, Dong H. A Two-ended DAta-Driven Accelerated Sampling Method for Exploring the Transition Pathways between Two Known States of Protein. Journal of Chemical Theory and Computation. PMID 32320614 DOI: 10.1021/acs.jctc.9b01184 |
0.531 |
|
| 2019 |
Shu C, Zhu Q, Xiao K, Hou Y, Ma H, Ma J, Sun X. Direct Extracellular Electron Transfer of the Pili Relevant to Interaromatic Distances. Biomed Research International. 2019: 6151587. PMID 31886232 DOI: 10.1155/2019/6151587 |
0.63 |
|
| 2019 |
Fu F, Liao K, Ma J, Cheng Z, Zheng D, Gao L, Liu C, Li S, Li W. How intermolecular interactions influence electronic absorption spectra: insights from the molecular packing of uracil in condensed phases. Physical Chemistry Chemical Physics : Pccp. PMID 30714590 DOI: 10.1039/c8cp06152a |
0.702 |
|
| 2018 |
Santos Gomes B, Cantini E, Tommasone S, Gibson JS, Wang X, Zhu Q, Ma J, McGettrick JD, Watson TM, Preece JA, Kirkman-Brown JC, Publicover SJ, Mendes PM. On-Demand Electrical Switching of Antibody-Antigen Binding on Surfaces. Acs Applied Bio Materials. 1: 738-747. PMID 34996164 DOI: 10.1021/acsabm.8b00201 |
0.343 |
|
| 2018 |
Zheng D, Yuan XA, Ma H, Li X, Wang X, Liu Z, Ma J. Unexpected solvent effects on the UV/Vis absorption spectra of -cresol in toluene and benzene: in contrast with non-aromatic solvents. Royal Society Open Science. 5: 171928. PMID 29657794 DOI: 10.1098/rsos.171928 |
0.596 |
|
| 2017 |
Zhu Q, Lu Y, He X, Liu T, Chen H, Wang F, Zheng D, Dong H, Ma J. Entropy and Polarity Control the Partition and Transportation of Drug-like Molecules in Biological Membrane. Scientific Reports. 7: 17749. PMID 29255188 DOI: 10.1038/S41598-017-18012-7 |
0.511 |
|
| 2017 |
Wang W, Sun X, Qu J, Xie X, Qi ZH, Hong D, Jing S, Zheng D, Tian Y, Ma H, Yu S, Ma J. Aggregation-induced visible light absorption makes reactant 1,2-diisocyanoarenes act as photosensitizers in double radical isocyanide insertions. Physical Chemistry Chemical Physics : Pccp. PMID 29159355 DOI: 10.1039/C7Cp05936A |
0.563 |
|
| 2017 |
Liu C, Zheng D, Hu W, Zhu Q, Tian Z, Zhao J, Zhu Y, Ma J. Tuning the collective switching behavior of azobenzene/Au hybrid materials: flexible versus rigid azobenzene backbones and Au(111) surfaces versus curved Au nanoparticles. Nanoscale. PMID 29067386 DOI: 10.1039/c7nr03421k |
0.379 |
|
| 2017 |
Zhao D, Song R, Li W, Ma J, Dong H, Li S. Accurate Prediction of NMR Chemical Shifts in Macromolecular and Condensed-phase Systems with the Generalized Energy-based Fragmentation Method. Journal of Chemical Theory and Computation. PMID 28976772 DOI: 10.1021/acs.jctc.7b00380 |
0.582 |
|
| 2017 |
Kan Z, Zhu Q, Yang L, Huang Z, Jin BB, Ma J. Polarization Effects on the Cellulose Dissolution in Ionic Liquids: Molecular Dynamics Simulations With Polarization Model and Integrated Tempering Enhanced Sampling Method. The Journal of Physical Chemistry. B. PMID 28418670 DOI: 10.1021/acs.jpcb.6b12647 |
0.435 |
|
| 2014 |
Li S, Li W, Ma J. Generalized energy-based fragmentation approach and its applications to macromolecules and molecular aggregates. Accounts of Chemical Research. 47: 2712-20. PMID 24873495 DOI: 10.1021/ar500038z |
0.512 |
|
| 2012 |
Zhang H, Malrieu JP, Ma H, Ma J. Implementation of renormalized excitonic method at ab initio level. Journal of Computational Chemistry. 33: 34-43. PMID 21956437 DOI: 10.1002/Jcc.21941 |
0.593 |
|
| 2011 |
Ma H, Ma J. Density dependence of hydrogen bonding and the translational-orientational structural order in supercritical water: a molecular dynamics study. The Journal of Chemical Physics. 135: 054504. PMID 21823709 DOI: 10.1063/1.3620404 |
0.582 |
|
| 2008 |
Li H, Li W, Li S, Ma J. Fragmentation-based QM/MM simulations: length dependence of chain dynamics and hydrogen bonding of polyethylene oxide and polyethylene in aqueous solutions. The Journal of Physical Chemistry. B. 112: 7061-70. PMID 18489146 DOI: 10.1021/jp800777e |
0.456 |
|
| 2007 |
Meng S, Ma J, Jiang Y. Solvent effects on electronic structures and chain conformations of alpha-oligothiophenes in polar and apolar solutions. The Journal of Physical Chemistry. B. 111: 4128-36. PMID 17397216 DOI: 10.1021/jp067745x |
0.561 |
|
| 2006 |
Jiang N, Ma J, Jiang Y. Electrostatic field-adapted molecular fractionation with conjugated caps for energy calculations of charged biomolecules. The Journal of Chemical Physics. 124: 114112. PMID 16555879 DOI: 10.1063/1.2178796 |
0.551 |
|
| 2005 |
Zhang G, Ma J, Jiang Y. Charge-doped and heteroatom-substituted polysilane, poly(vinylenedisilanylene), and poly(butadienylenedisilanylene): electronic structures and band gaps. The Journal of Physical Chemistry. B. 109: 13499-509. PMID 16852688 DOI: 10.1021/jp051259c |
0.516 |
|
| 2005 |
Wang Y, Ma J, Jiang Y. Tuning of electronic structures of poly(p-phenylenevinylene) analogues of phenyl, thienyl, furyl, and pyrrolyl by double-bond linkages of group 14 and 15 elements. The Journal of Physical Chemistry. A. 109: 7197-206. PMID 16834084 DOI: 10.1021/jp044112e |
0.531 |
|
| 2002 |
Li S, Ma J, Jiang Y. Linear scaling local correlation approach for solving the coupled cluster equations of large systems. Journal of Computational Chemistry. 23: 237-44. PMID 11924736 DOI: 10.1002/jcc.10003 |
0.6 |
|
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